UCSF

ZINC20365368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 24 Yes

Other Names:

MFCD00215417

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 8.67 -37.99 2 3 1 28 366.312 4
Mid Mid (pH 6-8) 3.58 6.31 -4.85 1 3 0 27 365.304 4

Vendor Notes

Note Type Comments Provided By
melting_point 139 - 140 KeyOrganics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )